REMARK Name = BDB021499 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.148 2.196 1.402 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -0.763 2.396 0.244 0.00 0.00 +0.250 C ATOM 3 N LIG 1 -1.660 2.916 -0.687 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -1.411 2.952 -2.119 0.00 0.00 +0.149 C ATOM 5 C LIG 1 -0.115 3.668 -2.423 0.00 0.00 +0.248 C ATOM 6 O LIG 1 0.951 2.737 -2.467 0.00 0.00 -0.490 OA ATOM 7 C LIG 1 1.365 2.210 -1.280 0.00 0.00 +0.136 A ATOM 8 C LIG 1 2.697 1.754 -1.379 0.00 0.00 +0.092 A ATOM 9 C LIG 1 3.373 1.171 -0.307 0.00 0.00 +0.124 A ATOM 10 C LIG 1 2.700 1.026 0.892 0.00 0.00 +0.046 A ATOM 11 C LIG 1 1.371 1.457 0.998 0.00 0.00 +0.020 A ATOM 12 C LIG 1 0.666 2.051 -0.079 0.00 0.00 +0.079 A ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -3.066 3.040 -0.267 0.00 0.00 +0.140 C BRANCH 13 14 ATOM 14 C LIG 1 -3.841 1.719 -0.409 0.00 0.00 +0.146 C BRANCH 14 15 ATOM 15 O LIG 1 -4.143 1.485 -1.795 0.00 0.00 -0.389 OA ATOM 16 H LIG 1 -4.900 0.861 -1.778 0.00 0.00 +0.210 HD ENDBRANCH 14 15 BRANCH 14 17 ATOM 17 C LIG 1 -5.168 1.772 0.379 0.00 0.00 +0.117 C BRANCH 17 18 ATOM 18 N LIG 1 -6.029 0.599 0.095 0.00 0.00 -0.295 NA ATOM 19 C LIG 1 -5.465 -0.635 0.690 0.00 0.00 +0.120 C ATOM 20 C LIG 1 -6.391 -1.831 0.611 0.00 0.00 -0.030 A ATOM 21 C LIG 1 -7.773 -1.666 0.418 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -8.611 -2.788 0.377 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -8.084 -4.067 0.552 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -6.718 -4.234 0.763 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -8.340 -0.288 0.193 0.00 0.00 +0.051 C ATOM 26 C LIG 1 -5.875 -3.123 0.796 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -7.380 0.821 0.642 0.00 0.00 +0.089 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 13 14 ENDBRANCH 3 13 BRANCH 9 28 ATOM 28 O LIG 1 4.656 0.796 -0.578 0.00 0.00 -0.489 OA BRANCH 28 29 ATOM 29 C LIG 1 5.461 0.237 0.466 0.00 0.00 +0.176 C ATOM 30 C LIG 1 5.235 -1.272 0.566 0.00 0.00 +0.060 C ATOM 31 C LIG 1 6.229 -1.908 1.534 0.00 0.00 +0.088 C ATOM 32 N LIG 1 7.631 -1.617 1.213 0.00 0.00 -0.299 NA ATOM 33 C LIG 1 7.869 -0.173 1.081 0.00 0.00 +0.088 C ATOM 34 C LIG 1 6.922 0.512 0.101 0.00 0.00 +0.060 C BRANCH 32 35 ATOM 35 C LIG 1 8.138 -2.394 0.069 0.00 0.00 +0.057 C ATOM 36 C LIG 1 9.600 -2.746 0.016 0.00 0.00 +0.020 C ATOM 37 C LIG 1 8.585 -3.814 0.292 0.00 0.00 +0.020 C ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 9 28 TORSDOF 8